SCHEMBL2237150

SCHEMBL2237150

CCNOC(=O)c1cc([N+](=O)[O-])c[nH]1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.39
BAZ2A Q9UIF9 1/20 0.39
CSF1R P07333 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 4/20 0.37
GLA P06280 1/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 2/20 0.35
HTT P42858 1/20 0.34
GAA P10253 1/20 0.34
ALOX5 P09917 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1160193 0.82 MEN1 (0.50) BAZ2BBAZ2ACSF1RMEN1KMT2A
SCHEMBL1299290 0.81 MAPT (0.53) MEN1KMT2AMAPTNPC1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL2237158 0.79 MAPT (0.52) MEN1KMT2AMAPTNPC1SMN1; SMN2
SCHEMBL1185764 0.75 NR3C2 (0.42) CSF1RMEN1KMT2AMAPTALDH1A1
SCHEMBL20640075 0.72 ALDH1A1 (0.45) KMT2AMAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL1663200 0.72 CREBBP (0.54) CSF1RMEN1KMT2AMAPTALDH1A1
SCHEMBL1073975 0.71 ALDH1A1 (0.47) CSF1RMEN1KMT2AALDH1A1GLA
SCHEMBL18414587 0.71 ALDH1A1 (0.41) CSF1RMEN1KMT2AMAPTALDH1A1
Water SCHEMBL1662781 0.70 ALDH1A1 (0.46) CSF1RMEN1KMT2AALDH1A1GLA
SCHEMBL27539694 0.70 ALDH1A1 (0.43) MEN1KMT2AMAPTALDH1A1GLA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011088045-A1 AURORA KINASE COMPOUNDS AND METHODS OF THEIR USE AMBIT BIOSCIENCES CORPORATION (US) 2011-07-21 WO disclosed